data_image0 _chemical_formula_structural Mn29 _chemical_formula_sum "Mn29" _cell_length_a 7.383316900472307 _cell_length_b 7.383316900472307 _cell_length_c 7.383316900472307 _cell_angle_alpha 109.47122063449069 _cell_angle_beta 109.47122063449069 _cell_angle_gamma 109.47122063449069 _space_group_name_H-M_alt "P 1" _space_group_IT_number 1 loop_ _space_group_symop_operation_xyz 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn1 1.0 0.0 0.0 0.0 1.0000 Mn Mn2 1.0 0.3643578339 0.0 0.0 1.0000 Mn Mn3 1.0 0.6063806079 0.3191488613 0.0 1.0000 Mn Mn4 1.0 0.0 0.3643578339 0.0 1.0000 Mn Mn5 1.0 0.3191488612999999 0.6063806079 0.0 1.0000 Mn Mn6 1.0 0.8070346442000002 0.6303298802 2.604469931746466e-17 1.0000 Mn Mn7 1.0 0.6303298802 0.8070346442000002 3.906704897619699e-17 1.0000 Mn Mn8 1.0 0.3696701197999999 0.3696701197999999 0.17670476399999996 1.0000 Mn Mn9 1.0 0.8232975818 0.19296770169999997 0.19296770169999997 1.0000 Mn Mn10 1.0 0.1929677017000001 0.8232975817999999 0.1929677016999999 1.0000 Mn Mn11 1.0 0.6808511387 0.6808511387 0.28723174660000006 1.0000 Mn Mn12 1.0 0.6063806079 0.0 0.3191488613 1.0000 Mn Mn13 1.0 0.0 0.6063806079 0.3191488613 1.0000 Mn Mn14 1.0 0.0 0.0 0.3643578339 1.0000 Mn Mn15 1.0 0.3696701198000001 0.176704764 0.36967011980000003 1.0000 Mn Mn16 1.0 0.17670476400000004 0.36967011980000003 0.36967011980000003 1.0000 Mn Mn17 1.0 0.7127682534 0.3936193921000001 0.3936193921 1.0000 Mn Mn18 1.0 0.3936193921 0.7127682533999999 0.39361939209999997 1.0000 Mn Mn19 1.0 0.3191488612999999 0.0 0.6063806079 1.0000 Mn Mn20 1.0 0.9999999999999999 0.3191488613 0.6063806079 1.0000 Mn Mn21 1.0 0.8070346442 0.0 0.6303298802 1.0000 Mn Mn22 1.0 0.0 0.8070346442 0.6303298802 1.0000 Mn Mn23 1.0 0.6356421661 0.6356421661 0.6356421661 1.0000 Mn Mn24 1.0 0.6808511387 0.28723174660000006 0.6808511387 1.0000 Mn Mn25 1.0 0.28723174660000006 0.6808511387 0.6808511387 1.0000 Mn Mn26 1.0 0.3936193921 0.3936193921 0.7127682534 1.0000 Mn Mn27 1.0 0.6303298802 0.0 0.8070346442000002 1.0000 Mn Mn28 1.0 5.2863937428165115e-17 0.6303298802 0.8070346442000002 1.0000 Mn Mn29 1.0 0.19296770170000002 0.19296770170000002 0.8232975818 1.0000